2-acetamido-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide

C16H13F3N6O2 — CID 59251860

IUPAC2-acetamido-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCC(=O)Nc1nc2ccc(-c3cnc(N)c(C(F)(F)F)c3)cn2c1C(N)=O
InChIInChI=1S/C16H13F3N6O2/c1-7(26)23-15-12(14(21)27)25-6-8(2-3-11(25)24-15)9-4-10(16(17,18)19)13(20)22-5-9/h2-6H,1H3,(H2,20,22)(H2,21,27)(H,23,26)
InChIKeyCINQGYDBEUTNAA-UHFFFAOYSA-N
MW378.31 g/mol
LogP2.05
Rot. Bonds3

About 2-acetamido-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide

2-acetamido-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 59251860) has the molecular formula C16H13F3N6O2 and a molecular weight of 378.31 g/mol. Its IUPAC name is 2-acetamido-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-acetamido-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID59251860
Molecular FormulaC16H13F3N6O2
Molecular Weight378.31 g/mol
Exact Mass378.11
IUPAC Name2-acetamido-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCC(=O)Nc1nc2ccc(-c3cnc(N)c(C(F)(F)F)c3)cn2c1C(N)=O
InChIInChI=1S/C16H13F3N6O2/c1-7(26)23-15-12(14(21)27)25-6-8(2-3-11(25)24-15)9-4-10(16(17,18)19)13(20)22-5-9/h2-6H,1H3,(H2,20,22)(H2,21,27)(H,23,26)
InChIKeyCINQGYDBEUTNAA-UHFFFAOYSA-N
XLogP2.05
TPSA128.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.31
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 2-acetamido-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 59251860) is 2-acetamido-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 2-acetamido-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 2-acetamido-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide is CC(=O)Nc1nc2ccc(-c3cnc(N)c(C(F)(F)F)c3)cn2c1C(N)=O.
What is the InChIKey of 2-acetamido-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is CINQGYDBEUTNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N6O2/c1-7(26)23-15-12(14(21)27)25-6-8(2-3-11(25)24-15)9-4-10(16(17,18)19)13(20)22-5-9/h2-6H,1H3,(H2,20,22)(H2,21,27)(H,23,26).
What are the key properties of 2-acetamido-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide?
2-acetamido-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 378.31 g/mol, XLogP of 2.05, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 59251860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).